magnesium;N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-3-chlorobenzamide;carbanide;3-[(3-chlorobenzoyl)amino]-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide;bromide

C30H34BrCl2MgN3O5 — CID 163615614

IUPACmagnesium;N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-3-chlorobenzamide;carbanide;3-[(3-chlorobenzoyl)amino]-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide;bromide
SMILESCC(=O)C12CC(NC(=O)c3cccc(Cl)c3)(C1)C2.CON(C)C(=O)C12CC(NC(=O)c3cccc(Cl)c3)(C1)C2.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C15H17ClN2O3.C14H14ClNO2.CH3.BrH.Mg/c1-18(21-2)13(20)14-7-15(8-14,9-14)17-12(19)10-4-3-5-11(16)6-10;1-9(17)13-6-14(7-13,8-13)16-12(18)10-3-2-4-11(15)5-10;;;/h3-6H,7-9H2,1-2H3,(H,17,19);2-5H,6-8H2,1H3,(H,16,18);1H3;1H;/q;;-1;;+2/p-1
InChIKeyFZJXTYDUVLXDLH-UHFFFAOYSA-M
MW691.73 g/mol
LogP1.67
Rot. Bonds7

About magnesium;N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-3-chlorobenzamide;carbanide;3-[(3-chlorobenzoyl)amino]-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide;bromide

magnesium;N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-3-chlorobenzamide;carbanide;3-[(3-chlorobenzoyl)amino]-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide;bromide (PubChem CID 163615614) has the molecular formula C30H34BrCl2MgN3O5 and a molecular weight of 691.73 g/mol. Its IUPAC name is magnesium;N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-3-chlorobenzamide;carbanide;3-[(3-chlorobenzoyl)amino]-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide;bromide.

Molecular Properties

Compound Namemagnesium;N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-3-chlorobenzamide;carbanide;3-[(3-chlorobenzoyl)amino]-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide;bromide
PubChem CID163615614
Molecular FormulaC30H34BrCl2MgN3O5
Molecular Weight691.73 g/mol
Exact Mass689.09
IUPAC Namemagnesium;N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-3-chlorobenzamide;carbanide;3-[(3-chlorobenzoyl)amino]-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide;bromide
SMILESCC(=O)C12CC(NC(=O)c3cccc(Cl)c3)(C1)C2.CON(C)C(=O)C12CC(NC(=O)c3cccc(Cl)c3)(C1)C2.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C15H17ClN2O3.C14H14ClNO2.CH3.BrH.Mg/c1-18(21-2)13(20)14-7-15(8-14,9-14)17-12(19)10-4-3-5-11(16)6-10;1-9(17)13-6-14(7-13,8-13)16-12(18)10-3-2-4-11(15)5-10;;;/h3-6H,7-9H2,1-2H3,(H,17,19);2-5H,6-8H2,1H3,(H,16,18);1H3;1H;/q;;-1;;+2/p-1
InChIKeyFZJXTYDUVLXDLH-UHFFFAOYSA-M
XLogP1.67
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500691.73
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze magnesium;N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-3-chlorobenzamide;carbanide;3-[(3-chlorobenzoyl)amino]-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide;bromide with MolForge

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Related Compounds

methyl 2-[3-[(3-chlorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-3-hydroxy-2-(hydroxymethyl)propanoate
CID 162499050
methyl 3-[(3-chlorobenzoyl)amino]-1,3-dimethylcyclobutane-1-carboxylate
CID 146204018
3-chloro-N-propan-2-ylbenzamide
CID 669184
N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide
CID 57406121
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
3-chloro-N-(dimethylcarbamothioyl)benzamide
CID 2302012
3-chloro-N'-(methylperoxymethyl)benzohydrazide
CID 163583814
1-(3-chlorophenyl)butane-1,3-dione
CID 15256966
3-chloro-N-(3-oxobutanoyl)benzamide
CID 86030808
methyl 2-(1-adamantyl)-2-[(3-chlorobenzoyl)amino]acetate
CID 2882583
3-chloro-N-(2-chloro-1,3-dioxoinden-2-yl)benzamide
CID 91678852
3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521

Frequently Asked Questions

What is the IUPAC name of magnesium;N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-3-chlorobenzamide;carbanide;3-[(3-chlorobenzoyl)amino]-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide;bromide?
The IUPAC name of magnesium;N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-3-chlorobenzamide;carbanide;3-[(3-chlorobenzoyl)amino]-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide;bromide (CID 163615614) is magnesium;N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-3-chlorobenzamide;carbanide;3-[(3-chlorobenzoyl)amino]-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide;bromide.
What is the SMILES notation for magnesium;N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-3-chlorobenzamide;carbanide;3-[(3-chlorobenzoyl)amino]-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide;bromide?
The canonical SMILES for magnesium;N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-3-chlorobenzamide;carbanide;3-[(3-chlorobenzoyl)amino]-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide;bromide is CC(=O)C12CC(NC(=O)c3cccc(Cl)c3)(C1)C2.CON(C)C(=O)C12CC(NC(=O)c3cccc(Cl)c3)(C1)C2.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-3-chlorobenzamide;carbanide;3-[(3-chlorobenzoyl)amino]-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide;bromide?
The InChIKey is FZJXTYDUVLXDLH-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H17ClN2O3.C14H14ClNO2.CH3.BrH.Mg/c1-18(21-2)13(20)14-7-15(8-14,9-14)17-12(19)10-4-3-5-11(16)6-10;1-9(17)13-6-14(7-13,8-13)16-12(18)10-3-2-4-11(15)5-10;;;/h3-6H,7-9H2,1-2H3,(H,17,19);2-5H,6-8H2,1H3,(H,16,18);1H3;1H;/q;;-1;;+2/p-1.
What are the key properties of magnesium;N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-3-chlorobenzamide;carbanide;3-[(3-chlorobenzoyl)amino]-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide;bromide?
magnesium;N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-3-chlorobenzamide;carbanide;3-[(3-chlorobenzoyl)amino]-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide;bromide has a molecular weight of 691.73 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-3-chlorobenzamide;carbanide;3-[(3-chlorobenzoyl)amino]-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide;bromide is sourced from PubChem (CID 163615614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).